4-Amino-3-nitrobenzonitrile
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4-Amino-3-nitrobenzonitrile
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CAS No:
6393-40-4
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Formula:
C7H5N3O2
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Chemical Name:
4-Amino-3-nitrobenzonitrile
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Synonyms:
Benzonitrile,4-amino-3-nitro-;4-Amino-3-nitrobenzonitrile;2-Nitro-4-cyanoaniline;4-Cyano-2-nitroaniline;3-Nitro-4-aminobenzonitrile
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CAS No:
Characteristics
95.6
0.9
Yellow Powder, Crystals or Crystalline Powder
1.4±0.1 g/cm3
159-160 °C
349.8ºC at 760 mmHg
165.4±25.1 °C
1.627
soluble in ethanol and benzene.
Safety Information
III
6.1
3276
3
36/37/38-20/21/22
26-36-36/37/39
Xi,Xn
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.73%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Amino-3-nitrobenzonitrile Use and Manufacturing
Potassium nitrate (15.6 mmol) was dissolved in 8 mL ofconcentrated H2SO4 and the mixture was cooled to below0 °C. To this solution, it was added, slowly, 7.8 mmol of 1and the temperature was maintained at 0 °C for 3.5 h. Themixture was poured into a bath of ice/water and the yellowsolid obtained was collected by filtration and washed with asmall amount of water. The obtained product was suspendedin 30 mL of 2 mol L-1 H2SO4 and heated under reflux for3 h. The suspension was cooled to room temperature andthe yellow solid was collected by filtration and washed withsmall amount of cold water, to afford the desired productin 74percent yield.4-Amino-3-nitrobenzonitrile : 4-cyano-2-nitroacetanilide (3g, 15mmol) was heated under reflux in 10percent H2SO4 FOR 30 nun. Upon cooling the resulting precipitate was filtered off and dried. Recrystallization of this material (METHANOL/WATER) gave yellow crystals of4- AMINO-3-NITRO benzonitrile in 95percent percent yield. m. p. 160°CA mixture of 20 g (92.2 mmol) of 4-bromo-2-nitroaniline and 20.8 g of cuprous cyanide were dissolved in 150 ml of N, N-dimethylformamide (DMF) The reaction was refluxed for 20 hours in a nitrogen atmosphere, cooled in ice water, extracted with ethyl acetate, concentrated and recrystallized. The drying weight was 5.88 g (yield 39.1percent)
Gamma irradiations effect on release of 4-amino-3-nitrobenzonitrile from polyanhydride matrixes.
Computed Properties
Molecular Weight:163.13
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:163.038176411
Monoisotopic Mass:163.038176411
Topological Polar Surface Area:95.6
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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